2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one

C15H20N2O2 — CID 104747758

IUPAC2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one
SMILESNC(CN1CCc2ccccc2C1=O)C1CCOC1
InChIInChI=1S/C15H20N2O2/c16-14(12-6-8-19-10-12)9-17-7-5-11-3-1-2-4-13(11)15(17)18/h1-4,12,14H,5-10,16H2
InChIKeyIHUHVYGZIFYLNE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.05
Rot. Bonds3

About 2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one

2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 104747758) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one
PubChem CID104747758
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one
SMILESNC(CN1CCc2ccccc2C1=O)C1CCOC1
InChIInChI=1S/C15H20N2O2/c16-14(12-6-8-19-10-12)9-17-7-5-11-3-1-2-4-13(11)15(17)18/h1-4,12,14H,5-10,16H2
InChIKeyIHUHVYGZIFYLNE-UHFFFAOYSA-N
XLogP1.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one (CID 104747758) is 2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one is NC(CN1CCc2ccccc2C1=O)C1CCOC1.
What is the InChIKey of 2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is IHUHVYGZIFYLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-14(12-6-8-19-10-12)9-17-7-5-11-3-1-2-4-13(11)15(17)18/h1-4,12,14H,5-10,16H2.
What are the key properties of 2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one?
2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 260.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 104747758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).